3-(methoxymethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide

C21H18N2O4S — CID 2524123

IUPAC3-(methoxymethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)oc2ccccc12
InChIInChI=1S/C21H18N2O4S/c1-25-11-16-15-5-3-4-6-18(15)27-19(16)20(24)23-21-22-17(12-28-21)13-7-9-14(26-2)10-8-13/h3-10,12H,11H2,1-2H3,(H,22,23,24)
InChIKeyIAWRLCSJQDENQN-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.96
Rot. Bonds6

About 3-(methoxymethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide

3-(methoxymethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 2524123) has the molecular formula C21H18N2O4S and a molecular weight of 394.45 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
PubChem CID2524123
Molecular FormulaC21H18N2O4S
Molecular Weight394.45 g/mol
Exact Mass394.10
IUPAC Name3-(methoxymethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)oc2ccccc12
InChIInChI=1S/C21H18N2O4S/c1-25-11-16-15-5-3-4-6-18(15)27-19(16)20(24)23-21-22-17(12-28-21)13-7-9-14(26-2)10-8-13/h3-10,12H,11H2,1-2H3,(H,22,23,24)
InChIKeyIAWRLCSJQDENQN-UHFFFAOYSA-N
XLogP4.96
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55434229
3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
CID 7734068
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 7940721
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 17417571
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 9100665
3-(methoxymethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 55807334
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 8718079
N-(4-anilinophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55370282
N-(2-ethoxyphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 7699468
N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide
CID 2178225
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide
CID 21008252
N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 8779973

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(methoxymethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide (CID 2524123) is 3-(methoxymethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide is COCc1c(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)oc2ccccc12.
What is the InChIKey of 3-(methoxymethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is IAWRLCSJQDENQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4S/c1-25-11-16-15-5-3-4-6-18(15)27-19(16)20(24)23-21-22-17(12-28-21)13-7-9-14(26-2)10-8-13/h3-10,12H,11H2,1-2H3,(H,22,23,24).
What are the key properties of 3-(methoxymethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
3-(methoxymethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2524123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).